Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate
TL;DR: Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate (CAS 108734-88-9) is a chemical compound with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)propanoate
Also Known As: Ethyl 5,6-diphenyl-alpha-methyl-3-oxo-1,2,4-triazine-2(3H)-acetate, 2-(1-Ethoxycarbonyl-1-ethyl)-3-oxo-5,6-diphenyl-as-triazine, 1,2,4-Triazine-2(3H)-acetic acid, 5,6-diphenyl-alpha-methyl-3-oxo-, ethyl ester, Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate, ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)propanoate
| Molecular Formula | C20H19N3O3 |
|---|---|
| Molecular Weight | 349.14 g/mol |
| LogP | 3.0964 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.14264 |
| Heavy Atoms | 26 |
| Complexity | 953.04034 |
Chemical Identifiers
| CAS Number | 108734-88-9 |
|---|---|
| SMILES | CCOC(=O)C(C)N1C(=O)N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate (CAS 108734-88-9), with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol. IUPAC: ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)propanoate.
Chemical Property Profile of Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate
Property Insights of Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate
The XLogP value of 3.0964 indicates that Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate. Following Lipinski's Rule of Five, Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate?
The CAS number of Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate is 108734-88-9.
What is the molecular formula of Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate?
The molecular formula of Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate is C20H19N3O3.
What is the molecular weight of Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate?
The molecular weight of Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate is 349.14 g/mol.
Where can I buy Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate?
You can request a quote for Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2(3H)-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.